USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 THR OG1 : rot 134:sc= 0.755 USER MOD Set 1.2: A 65 ASN : amide:sc= -0.38 K(o=0.37,f=-1.5) USER MOD Set 2.1: A 23 ASN : amide:sc= 1.26 K(o=-1.6,f=-2.9) USER MOD Set 2.2: A 47 HIS : no HD1:sc= -2.91 X(o=-1.6,f=-1.5) USER MOD Set 3.1: A 14 HIS : no HE2:sc= -0.787 K(o=-1.8,f=-3.2!) USER MOD Set 3.2: A 33 THR OG1 : rot 25:sc= -1.06 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -157:sc= 1.15 USER MOD Single : A 38 SER OG : rot 30:sc= -0.783 USER MOD Single : A 39 THR OG1 : rot 104:sc= 0.675 USER MOD Single : A 44 MET CE :methyl -156:sc= -16.2! (180deg=-18.4!) USER MOD Single : A 48 THR OG1 : rot -69:sc= 0.109 USER MOD Single : A 52 TYR OH : rot -105:sc= 0.711 USER MOD Single : A 53 ASN : amide:sc= -0.683 X(o=-0.68,f=-0.42) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.49 K(o=-1.5,f=-0.37) USER MOD Single : A 57 HIS : no HE2:sc= -3.78 K(o=-3.8,f=-4.9!) USER MOD Single : A 61 TYR OH : rot 86:sc= 0.567 USER MOD Single : A 66 MET CE :methyl -136:sc= -0.304 (180deg=-2!) USER MOD Single : A 69 HIS : no HD1:sc= -6.53! C(o=-6.5!,f=-4!) USER MOD Single : A 70 LYS NZ :NH3+ -140:sc= -0.0694 (180deg=-0.714) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -53:sc= 0.266 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 8 6.222 -0.255 -11.128 1.00 0.00 N ATOM 2 CA GLY A 8 5.827 1.104 -11.596 1.00 0.00 C ATOM 3 C GLY A 8 7.039 1.809 -12.208 1.00 0.00 C ATOM 4 O GLY A 8 7.582 1.373 -13.206 1.00 0.00 O ATOM 0 HA2 GLY A 8 5.028 1.028 -12.333 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.437 1.688 -10.762 1.00 0.00 H new ATOM 8 N VAL A 9 7.466 2.898 -11.616 1.00 0.00 N ATOM 9 CA VAL A 9 8.647 3.641 -12.157 1.00 0.00 C ATOM 10 C VAL A 9 9.849 3.481 -11.222 1.00 0.00 C ATOM 11 O VAL A 9 10.934 3.131 -11.648 1.00 0.00 O ATOM 12 CB VAL A 9 8.200 5.106 -12.231 1.00 0.00 C ATOM 13 CG1 VAL A 9 9.391 5.995 -12.601 1.00 0.00 C ATOM 14 CG2 VAL A 9 7.109 5.255 -13.297 1.00 0.00 C ATOM 0 H VAL A 9 7.047 3.305 -10.780 1.00 0.00 H new ATOM 0 HA VAL A 9 8.959 3.267 -13.132 1.00 0.00 H new ATOM 0 HB VAL A 9 7.810 5.409 -11.260 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.067 7.035 -12.652 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.169 5.894 -11.844 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.786 5.690 -13.570 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.791 6.296 -13.349 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.502 4.946 -14.266 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.256 4.628 -13.035 1.00 0.00 H new ATOM 24 N PHE A 10 9.662 3.741 -9.955 1.00 0.00 N ATOM 25 CA PHE A 10 10.788 3.614 -8.984 1.00 0.00 C ATOM 26 C PHE A 10 10.320 2.886 -7.720 1.00 0.00 C ATOM 27 O PHE A 10 9.273 3.177 -7.172 1.00 0.00 O ATOM 28 CB PHE A 10 11.203 5.065 -8.682 1.00 0.00 C ATOM 29 CG PHE A 10 11.501 5.263 -7.202 1.00 0.00 C ATOM 30 CD1 PHE A 10 10.468 5.613 -6.319 1.00 0.00 C ATOM 31 CD2 PHE A 10 12.807 5.103 -6.715 1.00 0.00 C ATOM 32 CE1 PHE A 10 10.738 5.803 -4.958 1.00 0.00 C ATOM 33 CE2 PHE A 10 13.075 5.294 -5.352 1.00 0.00 C ATOM 34 CZ PHE A 10 12.042 5.644 -4.474 1.00 0.00 C ATOM 0 H PHE A 10 8.774 4.037 -9.549 1.00 0.00 H new ATOM 0 HA PHE A 10 11.622 3.031 -9.375 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.084 5.322 -9.269 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.407 5.744 -8.988 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.461 5.736 -6.690 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.606 4.833 -7.390 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.940 6.072 -4.282 1.00 0.00 H new ATOM 0 HE2 PHE A 10 14.081 5.171 -4.978 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.251 5.791 -3.425 1.00 0.00 H new ATOM 44 N VAL A 11 11.112 1.965 -7.241 1.00 0.00 N ATOM 45 CA VAL A 11 10.755 1.238 -5.993 1.00 0.00 C ATOM 46 C VAL A 11 11.637 1.784 -4.877 1.00 0.00 C ATOM 47 O VAL A 11 12.847 1.652 -4.923 1.00 0.00 O ATOM 48 CB VAL A 11 11.062 -0.239 -6.259 1.00 0.00 C ATOM 49 CG1 VAL A 11 10.855 -1.041 -4.970 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.125 -0.776 -7.347 1.00 0.00 C ATOM 0 H VAL A 11 11.996 1.685 -7.665 1.00 0.00 H new ATOM 0 HA VAL A 11 9.710 1.358 -5.706 1.00 0.00 H new ATOM 0 HB VAL A 11 12.095 -0.338 -6.592 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.073 -2.093 -5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.523 -0.664 -4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.822 -0.938 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.347 -1.827 -7.533 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.091 -0.677 -7.018 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.270 -0.207 -8.265 1.00 0.00 H new ATOM 60 N ASP A 12 11.052 2.432 -3.904 1.00 0.00 N ATOM 61 CA ASP A 12 11.859 3.031 -2.802 1.00 0.00 C ATOM 62 C ASP A 12 12.936 2.068 -2.298 1.00 0.00 C ATOM 63 O ASP A 12 12.658 1.120 -1.592 1.00 0.00 O ATOM 64 CB ASP A 12 10.865 3.354 -1.687 1.00 0.00 C ATOM 65 CG ASP A 12 11.262 4.675 -1.026 1.00 0.00 C ATOM 66 OD1 ASP A 12 12.444 4.868 -0.782 1.00 0.00 O ATOM 67 OD2 ASP A 12 10.379 5.472 -0.771 1.00 0.00 O ATOM 0 H ASP A 12 10.045 2.572 -3.826 1.00 0.00 H new ATOM 0 HA ASP A 12 12.387 3.919 -3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.856 3.425 -2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.856 2.552 -0.948 1.00 0.00 H new ATOM 72 N ASP A 13 14.174 2.335 -2.640 1.00 0.00 N ATOM 73 CA ASP A 13 15.289 1.476 -2.176 1.00 0.00 C ATOM 74 C ASP A 13 15.441 1.633 -0.663 1.00 0.00 C ATOM 75 O ASP A 13 15.956 0.764 0.015 1.00 0.00 O ATOM 76 CB ASP A 13 16.528 2.000 -2.906 1.00 0.00 C ATOM 77 CG ASP A 13 17.576 0.888 -3.002 1.00 0.00 C ATOM 78 OD1 ASP A 13 18.371 0.770 -2.084 1.00 0.00 O ATOM 79 OD2 ASP A 13 17.564 0.174 -3.991 1.00 0.00 O ATOM 0 H ASP A 13 14.454 3.121 -3.227 1.00 0.00 H new ATOM 0 HA ASP A 13 15.127 0.418 -2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.256 2.344 -3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 13 16.940 2.857 -2.374 1.00 0.00 H new ATOM 84 N HIS A 14 14.978 2.742 -0.134 1.00 0.00 N ATOM 85 CA HIS A 14 15.068 2.979 1.330 1.00 0.00 C ATOM 86 C HIS A 14 14.160 1.994 2.075 1.00 0.00 C ATOM 87 O HIS A 14 14.499 1.509 3.137 1.00 0.00 O ATOM 88 CB HIS A 14 14.594 4.423 1.521 1.00 0.00 C ATOM 89 CG HIS A 14 14.701 4.804 2.973 1.00 0.00 C ATOM 90 ND1 HIS A 14 15.768 5.537 3.468 1.00 0.00 N ATOM 91 CD2 HIS A 14 13.886 4.553 4.050 1.00 0.00 C ATOM 92 CE1 HIS A 14 15.568 5.700 4.789 1.00 0.00 C ATOM 93 NE2 HIS A 14 14.437 5.120 5.194 1.00 0.00 N ATOM 0 H HIS A 14 14.539 3.495 -0.664 1.00 0.00 H new ATOM 0 HA HIS A 14 16.074 2.832 1.722 1.00 0.00 H new ATOM 0 HB2 HIS A 14 15.197 5.097 0.913 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.563 4.525 1.183 1.00 0.00 H new ATOM 0 HD1 HIS A 14 16.560 5.889 2.930 1.00 0.00 H new ATOM 0 HD2 HIS A 14 12.959 4.000 4.014 1.00 0.00 H new ATOM 0 HE1 HIS A 14 16.241 6.235 5.442 1.00 0.00 H new ATOM 101 N LEU A 15 13.026 1.668 1.506 1.00 0.00 N ATOM 102 CA LEU A 15 12.117 0.687 2.160 1.00 0.00 C ATOM 103 C LEU A 15 12.713 -0.708 1.964 1.00 0.00 C ATOM 104 O LEU A 15 12.684 -1.541 2.849 1.00 0.00 O ATOM 105 CB LEU A 15 10.758 0.863 1.451 1.00 0.00 C ATOM 106 CG LEU A 15 10.542 -0.197 0.363 1.00 0.00 C ATOM 107 CD1 LEU A 15 10.088 -1.510 0.998 1.00 0.00 C ATOM 108 CD2 LEU A 15 9.468 0.293 -0.614 1.00 0.00 C ATOM 0 H LEU A 15 12.694 2.041 0.617 1.00 0.00 H new ATOM 0 HA LEU A 15 11.992 0.832 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.954 0.800 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.706 1.857 1.006 1.00 0.00 H new ATOM 0 HG LEU A 15 11.479 -0.362 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.937 -2.258 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.850 -1.860 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.153 -1.350 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.311 -0.457 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.535 0.459 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.793 1.227 -1.073 1.00 0.00 H new ATOM 120 N LEU A 16 13.278 -0.947 0.806 1.00 0.00 N ATOM 121 CA LEU A 16 13.914 -2.263 0.521 1.00 0.00 C ATOM 122 C LEU A 16 15.018 -2.530 1.539 1.00 0.00 C ATOM 123 O LEU A 16 15.140 -3.617 2.067 1.00 0.00 O ATOM 124 CB LEU A 16 14.514 -2.135 -0.876 1.00 0.00 C ATOM 125 CG LEU A 16 13.522 -2.693 -1.883 1.00 0.00 C ATOM 126 CD1 LEU A 16 12.527 -1.603 -2.255 1.00 0.00 C ATOM 127 CD2 LEU A 16 14.267 -3.164 -3.131 1.00 0.00 C ATOM 0 H LEU A 16 13.324 -0.276 0.039 1.00 0.00 H new ATOM 0 HA LEU A 16 13.199 -3.084 0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.733 -1.091 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.457 -2.678 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 16 12.991 -3.539 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.811 -1.995 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.997 -1.274 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.059 -0.759 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.553 -3.564 -3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 16 14.800 -2.323 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.980 -3.941 -2.857 1.00 0.00 H new ATOM 139 N GLU A 17 15.815 -1.527 1.824 1.00 0.00 N ATOM 140 CA GLU A 17 16.917 -1.695 2.824 1.00 0.00 C ATOM 141 C GLU A 17 16.345 -2.206 4.160 1.00 0.00 C ATOM 142 O GLU A 17 17.034 -2.843 4.933 1.00 0.00 O ATOM 143 CB GLU A 17 17.549 -0.298 2.967 1.00 0.00 C ATOM 144 CG GLU A 17 17.169 0.335 4.312 1.00 0.00 C ATOM 145 CD GLU A 17 17.728 1.759 4.388 1.00 0.00 C ATOM 146 OE1 GLU A 17 18.877 1.904 4.768 1.00 0.00 O ATOM 147 OE2 GLU A 17 16.994 2.680 4.068 1.00 0.00 O ATOM 0 H GLU A 17 15.749 -0.599 1.407 1.00 0.00 H new ATOM 0 HA GLU A 17 17.660 -2.429 2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.634 -0.375 2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.215 0.343 2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 17 16.085 0.353 4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.563 -0.265 5.132 1.00 0.00 H new ATOM 154 N LYS A 18 15.089 -1.932 4.427 1.00 0.00 N ATOM 155 CA LYS A 18 14.464 -2.398 5.701 1.00 0.00 C ATOM 156 C LYS A 18 13.680 -3.703 5.486 1.00 0.00 C ATOM 157 O LYS A 18 13.592 -4.524 6.378 1.00 0.00 O ATOM 158 CB LYS A 18 13.516 -1.267 6.113 1.00 0.00 C ATOM 159 CG LYS A 18 14.313 -0.138 6.771 1.00 0.00 C ATOM 160 CD LYS A 18 14.475 -0.425 8.265 1.00 0.00 C ATOM 161 CE LYS A 18 15.770 0.217 8.774 1.00 0.00 C ATOM 162 NZ LYS A 18 16.833 -0.804 8.543 1.00 0.00 N ATOM 0 H LYS A 18 14.470 -1.403 3.813 1.00 0.00 H new ATOM 0 HA LYS A 18 15.213 -2.610 6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.985 -0.889 5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.763 -1.645 6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.292 -0.048 6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.801 0.814 6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.621 -0.031 8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.498 -1.501 8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.988 1.140 8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.693 0.473 9.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.748 -0.432 8.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.603 -1.670 9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.889 -1.023 7.528 1.00 0.00 H new ATOM 176 N VAL A 19 13.103 -3.905 4.318 1.00 0.00 N ATOM 177 CA VAL A 19 12.323 -5.165 4.079 1.00 0.00 C ATOM 178 C VAL A 19 13.251 -6.366 3.900 1.00 0.00 C ATOM 179 O VAL A 19 12.961 -7.451 4.365 1.00 0.00 O ATOM 180 CB VAL A 19 11.517 -4.925 2.803 1.00 0.00 C ATOM 181 CG1 VAL A 19 12.400 -5.109 1.565 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.366 -5.932 2.761 1.00 0.00 C ATOM 0 H VAL A 19 13.139 -3.259 3.530 1.00 0.00 H new ATOM 0 HA VAL A 19 11.680 -5.391 4.930 1.00 0.00 H new ATOM 0 HB VAL A 19 11.134 -3.905 2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.808 -4.934 0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.227 -4.399 1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.795 -6.125 1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.779 -5.776 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.769 -6.945 2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.729 -5.794 3.635 1.00 0.00 H new ATOM 192 N LEU A 20 14.365 -6.180 3.240 1.00 0.00 N ATOM 193 CA LEU A 20 15.313 -7.317 3.050 1.00 0.00 C ATOM 194 C LEU A 20 15.802 -7.764 4.425 1.00 0.00 C ATOM 195 O LEU A 20 16.165 -8.907 4.626 1.00 0.00 O ATOM 196 CB LEU A 20 16.463 -6.786 2.178 1.00 0.00 C ATOM 197 CG LEU A 20 17.322 -5.782 2.956 1.00 0.00 C ATOM 198 CD1 LEU A 20 18.464 -6.518 3.663 1.00 0.00 C ATOM 199 CD2 LEU A 20 17.908 -4.763 1.978 1.00 0.00 C ATOM 0 H LEU A 20 14.658 -5.295 2.827 1.00 0.00 H new ATOM 0 HA LEU A 20 14.855 -8.178 2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.083 -7.617 1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.058 -6.309 1.286 1.00 0.00 H new ATOM 0 HG LEU A 20 16.706 -5.274 3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.072 -5.801 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.051 -7.252 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.083 -7.025 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.520 -4.045 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.523 -5.279 1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.098 -4.238 1.471 1.00 0.00 H new ATOM 211 N GLU A 21 15.770 -6.866 5.383 1.00 0.00 N ATOM 212 CA GLU A 21 16.183 -7.227 6.757 1.00 0.00 C ATOM 213 C GLU A 21 15.126 -8.153 7.368 1.00 0.00 C ATOM 214 O GLU A 21 15.442 -9.065 8.108 1.00 0.00 O ATOM 215 CB GLU A 21 16.248 -5.906 7.526 1.00 0.00 C ATOM 216 CG GLU A 21 17.674 -5.670 8.032 1.00 0.00 C ATOM 217 CD GLU A 21 18.310 -4.517 7.254 1.00 0.00 C ATOM 218 OE1 GLU A 21 18.157 -3.384 7.681 1.00 0.00 O ATOM 219 OE2 GLU A 21 18.939 -4.785 6.244 1.00 0.00 O ATOM 0 H GLU A 21 15.473 -5.898 5.261 1.00 0.00 H new ATOM 0 HA GLU A 21 17.141 -7.747 6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.941 -5.083 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.553 -5.929 8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.659 -5.439 9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.268 -6.576 7.911 1.00 0.00 H new ATOM 226 N LEU A 22 13.869 -7.932 7.042 1.00 0.00 N ATOM 227 CA LEU A 22 12.786 -8.808 7.582 1.00 0.00 C ATOM 228 C LEU A 22 12.847 -10.179 6.901 1.00 0.00 C ATOM 229 O LEU A 22 12.464 -11.182 7.471 1.00 0.00 O ATOM 230 CB LEU A 22 11.473 -8.089 7.238 1.00 0.00 C ATOM 231 CG LEU A 22 11.000 -7.236 8.426 1.00 0.00 C ATOM 232 CD1 LEU A 22 10.787 -8.122 9.658 1.00 0.00 C ATOM 233 CD2 LEU A 22 12.047 -6.163 8.746 1.00 0.00 C ATOM 0 H LEU A 22 13.552 -7.183 6.426 1.00 0.00 H new ATOM 0 HA LEU A 22 12.880 -8.974 8.655 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.617 -7.456 6.362 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.707 -8.821 6.980 1.00 0.00 H new ATOM 0 HG LEU A 22 10.058 -6.757 8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.452 -7.508 10.494 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.033 -8.877 9.437 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.725 -8.612 9.920 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.706 -5.562 9.589 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.992 -6.642 9.001 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.188 -5.521 7.876 1.00 0.00 H new ATOM 245 N ASN A 23 13.348 -10.226 5.689 1.00 0.00 N ATOM 246 CA ASN A 23 13.467 -11.531 4.970 1.00 0.00 C ATOM 247 C ASN A 23 14.753 -12.249 5.405 1.00 0.00 C ATOM 248 O ASN A 23 14.911 -13.436 5.190 1.00 0.00 O ATOM 249 CB ASN A 23 13.530 -11.168 3.482 1.00 0.00 C ATOM 250 CG ASN A 23 12.131 -10.790 2.983 1.00 0.00 C ATOM 251 OD1 ASN A 23 11.314 -11.650 2.720 1.00 0.00 O ATOM 252 ND2 ASN A 23 11.821 -9.530 2.841 1.00 0.00 N ATOM 0 H ASN A 23 13.680 -9.415 5.168 1.00 0.00 H new ATOM 0 HA ASN A 23 12.634 -12.201 5.185 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.218 -10.336 3.329 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.916 -12.011 2.908 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.893 -9.267 2.509 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.507 -8.808 3.062 1.00 0.00 H new ATOM 259 N ALA A 24 15.666 -11.534 6.025 1.00 0.00 N ATOM 260 CA ALA A 24 16.931 -12.153 6.488 1.00 0.00 C ATOM 261 C ALA A 24 16.710 -12.813 7.848 1.00 0.00 C ATOM 262 O ALA A 24 17.245 -13.868 8.129 1.00 0.00 O ATOM 263 CB ALA A 24 17.918 -10.993 6.613 1.00 0.00 C ATOM 0 H ALA A 24 15.578 -10.538 6.227 1.00 0.00 H new ATOM 0 HA ALA A 24 17.295 -12.922 5.807 1.00 0.00 H new ATOM 0 HB1 ALA A 24 18.882 -11.371 6.952 1.00 0.00 H new ATOM 0 HB2 ALA A 24 18.038 -10.511 5.643 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.538 -10.268 7.333 1.00 0.00 H new ATOM 269 N LYS A 25 15.907 -12.202 8.688 1.00 0.00 N ATOM 270 CA LYS A 25 15.630 -12.797 10.027 1.00 0.00 C ATOM 271 C LYS A 25 14.443 -13.755 9.920 1.00 0.00 C ATOM 272 O LYS A 25 14.247 -14.613 10.761 1.00 0.00 O ATOM 273 CB LYS A 25 15.264 -11.618 10.937 1.00 0.00 C ATOM 274 CG LYS A 25 16.348 -10.541 10.864 1.00 0.00 C ATOM 275 CD LYS A 25 15.741 -9.185 11.229 1.00 0.00 C ATOM 276 CE LYS A 25 16.592 -8.063 10.624 1.00 0.00 C ATOM 277 NZ LYS A 25 17.507 -7.632 11.719 1.00 0.00 N ATOM 0 H LYS A 25 15.434 -11.318 8.501 1.00 0.00 H new ATOM 0 HA LYS A 25 16.484 -13.354 10.413 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.304 -11.200 10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.152 -11.963 11.965 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.163 -10.783 11.546 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.773 -10.504 9.861 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.718 -9.121 10.857 1.00 0.00 H new ATOM 0 HD3 LYS A 25 15.694 -9.076 12.312 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.153 -8.417 9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.969 -7.236 10.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.120 -6.865 11.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.946 -7.293 12.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.093 -8.437 12.018 1.00 0.00 H new ATOM 291 N GLY A 26 13.637 -13.590 8.901 1.00 0.00 N ATOM 292 CA GLY A 26 12.440 -14.457 8.734 1.00 0.00 C ATOM 293 C GLY A 26 11.275 -13.844 9.516 1.00 0.00 C ATOM 294 O GLY A 26 10.295 -14.505 9.802 1.00 0.00 O ATOM 0 H GLY A 26 13.762 -12.885 8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.182 -14.545 7.679 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.649 -15.464 9.096 1.00 0.00 H new ATOM 298 N GLU A 27 11.378 -12.580 9.873 1.00 0.00 N ATOM 299 CA GLU A 27 10.280 -11.925 10.644 1.00 0.00 C ATOM 300 C GLU A 27 9.302 -11.221 9.697 1.00 0.00 C ATOM 301 O GLU A 27 9.678 -10.743 8.642 1.00 0.00 O ATOM 302 CB GLU A 27 10.979 -10.906 11.551 1.00 0.00 C ATOM 303 CG GLU A 27 11.727 -11.637 12.672 1.00 0.00 C ATOM 304 CD GLU A 27 10.722 -12.202 13.680 1.00 0.00 C ATOM 305 OE1 GLU A 27 10.266 -11.445 14.521 1.00 0.00 O ATOM 306 OE2 GLU A 27 10.429 -13.384 13.596 1.00 0.00 O ATOM 0 H GLU A 27 12.175 -11.980 9.661 1.00 0.00 H new ATOM 0 HA GLU A 27 9.697 -12.647 11.216 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.676 -10.304 10.968 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.246 -10.221 11.977 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.330 -12.443 12.254 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.412 -10.952 13.172 1.00 0.00 H new ATOM 313 N LYS A 28 8.049 -11.150 10.074 1.00 0.00 N ATOM 314 CA LYS A 28 7.035 -10.475 9.211 1.00 0.00 C ATOM 315 C LYS A 28 6.573 -9.172 9.876 1.00 0.00 C ATOM 316 O LYS A 28 5.705 -9.175 10.729 1.00 0.00 O ATOM 317 CB LYS A 28 5.876 -11.471 9.105 1.00 0.00 C ATOM 318 CG LYS A 28 6.151 -12.462 7.971 1.00 0.00 C ATOM 319 CD LYS A 28 5.145 -13.612 8.043 1.00 0.00 C ATOM 320 CE LYS A 28 5.652 -14.789 7.204 1.00 0.00 C ATOM 321 NZ LYS A 28 4.865 -15.967 7.672 1.00 0.00 N ATOM 0 H LYS A 28 7.685 -11.533 10.947 1.00 0.00 H new ATOM 0 HA LYS A 28 7.429 -10.212 8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.756 -12.006 10.047 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.943 -10.940 8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.075 -11.958 7.007 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.167 -12.848 8.050 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.006 -13.923 9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.173 -13.282 7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.498 -14.610 6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.721 -14.946 7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.157 -16.813 7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.036 -16.118 8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.852 -15.793 7.514 1.00 0.00 H new ATOM 335 N ARG A 29 7.154 -8.061 9.493 1.00 0.00 N ATOM 336 CA ARG A 29 6.759 -6.755 10.104 1.00 0.00 C ATOM 337 C ARG A 29 6.389 -5.744 9.010 1.00 0.00 C ATOM 338 O ARG A 29 6.006 -6.115 7.915 1.00 0.00 O ATOM 339 CB ARG A 29 7.998 -6.292 10.878 1.00 0.00 C ATOM 340 CG ARG A 29 7.574 -5.712 12.231 1.00 0.00 C ATOM 341 CD ARG A 29 8.795 -5.614 13.151 1.00 0.00 C ATOM 342 NE ARG A 29 8.528 -4.434 14.022 1.00 0.00 N ATOM 343 CZ ARG A 29 8.025 -4.601 15.217 1.00 0.00 C ATOM 344 NH1 ARG A 29 6.728 -4.575 15.388 1.00 0.00 N ATOM 345 NH2 ARG A 29 8.818 -4.793 16.239 1.00 0.00 N ATOM 0 H ARG A 29 7.885 -8.003 8.784 1.00 0.00 H new ATOM 0 HA ARG A 29 5.886 -6.847 10.751 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.679 -7.130 11.028 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.539 -5.541 10.302 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.130 -4.726 12.093 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.812 -6.344 12.687 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.917 -6.521 13.742 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.712 -5.481 12.577 1.00 0.00 H new ATOM 0 HE ARG A 29 8.738 -3.495 13.685 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.111 -4.425 14.590 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.334 -4.705 16.320 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.829 -4.812 16.104 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.426 -4.923 17.171 1.00 0.00 H new ATOM 359 N LEU A 30 6.498 -4.472 9.302 1.00 0.00 N ATOM 360 CA LEU A 30 6.152 -3.433 8.288 1.00 0.00 C ATOM 361 C LEU A 30 7.394 -2.595 7.930 1.00 0.00 C ATOM 362 O LEU A 30 8.333 -2.494 8.699 1.00 0.00 O ATOM 363 CB LEU A 30 5.050 -2.583 8.954 1.00 0.00 C ATOM 364 CG LEU A 30 5.641 -1.338 9.628 1.00 0.00 C ATOM 365 CD1 LEU A 30 5.222 -0.087 8.852 1.00 0.00 C ATOM 366 CD2 LEU A 30 5.121 -1.243 11.065 1.00 0.00 C ATOM 0 H LEU A 30 6.813 -4.109 10.202 1.00 0.00 H new ATOM 0 HA LEU A 30 5.805 -3.860 7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.317 -2.281 8.205 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.521 -3.184 9.694 1.00 0.00 H new ATOM 0 HG LEU A 30 6.728 -1.412 9.637 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.643 0.797 9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.590 -0.154 7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.135 -0.012 8.843 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.540 -0.359 11.546 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.034 -1.169 11.054 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.419 -2.133 11.619 1.00 0.00 H new ATOM 378 N ILE A 31 7.397 -2.004 6.762 1.00 0.00 N ATOM 379 CA ILE A 31 8.560 -1.171 6.323 1.00 0.00 C ATOM 380 C ILE A 31 8.054 0.166 5.774 1.00 0.00 C ATOM 381 O ILE A 31 7.406 0.219 4.748 1.00 0.00 O ATOM 382 CB ILE A 31 9.244 -1.988 5.221 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.696 -3.333 5.802 1.00 0.00 C ATOM 384 CG2 ILE A 31 10.462 -1.222 4.691 1.00 0.00 C ATOM 385 CD1 ILE A 31 8.799 -4.454 5.272 1.00 0.00 C ATOM 0 H ILE A 31 6.635 -2.063 6.086 1.00 0.00 H new ATOM 0 HA ILE A 31 9.248 -0.946 7.138 1.00 0.00 H new ATOM 0 HB ILE A 31 8.544 -2.157 4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.734 -3.526 5.531 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.651 -3.303 6.891 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.946 -1.805 3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.140 -0.264 4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.167 -1.052 5.505 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.124 -5.408 5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.767 -4.263 5.565 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.866 -4.490 4.185 1.00 0.00 H new ATOM 397 N LYS A 32 8.345 1.244 6.451 1.00 0.00 N ATOM 398 CA LYS A 32 7.873 2.584 5.975 1.00 0.00 C ATOM 399 C LYS A 32 9.021 3.373 5.338 1.00 0.00 C ATOM 400 O LYS A 32 10.169 3.241 5.723 1.00 0.00 O ATOM 401 CB LYS A 32 7.335 3.309 7.220 1.00 0.00 C ATOM 402 CG LYS A 32 8.385 3.314 8.339 1.00 0.00 C ATOM 403 CD LYS A 32 8.026 2.252 9.383 1.00 0.00 C ATOM 404 CE LYS A 32 9.309 1.655 9.974 1.00 0.00 C ATOM 405 NZ LYS A 32 9.043 0.192 10.088 1.00 0.00 N ATOM 0 H LYS A 32 8.889 1.258 7.314 1.00 0.00 H new ATOM 0 HA LYS A 32 7.104 2.485 5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.065 4.333 6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.426 2.818 7.569 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.373 3.113 7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.429 4.298 8.806 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.422 2.696 10.174 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.425 1.466 8.925 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.167 1.850 9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.534 2.091 10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.878 -0.283 10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.226 0.035 10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.839 -0.198 9.146 1.00 0.00 H new ATOM 419 N THR A 33 8.712 4.193 4.365 1.00 0.00 N ATOM 420 CA THR A 33 9.774 5.001 3.689 1.00 0.00 C ATOM 421 C THR A 33 9.250 6.414 3.381 1.00 0.00 C ATOM 422 O THR A 33 8.096 6.717 3.623 1.00 0.00 O ATOM 423 CB THR A 33 10.101 4.227 2.409 1.00 0.00 C ATOM 424 OG1 THR A 33 11.256 4.789 1.802 1.00 0.00 O ATOM 425 CG2 THR A 33 8.912 4.282 1.442 1.00 0.00 C ATOM 0 H THR A 33 7.767 4.338 4.008 1.00 0.00 H new ATOM 0 HA THR A 33 10.661 5.136 4.308 1.00 0.00 H new ATOM 0 HB THR A 33 10.297 3.184 2.656 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.797 5.241 2.483 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.155 3.729 0.535 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.037 3.837 1.915 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.698 5.320 1.187 1.00 0.00 H new ATOM 433 N TRP A 34 10.094 7.292 2.877 1.00 0.00 N ATOM 434 CA TRP A 34 9.636 8.692 2.586 1.00 0.00 C ATOM 435 C TRP A 34 10.298 9.254 1.314 1.00 0.00 C ATOM 436 O TRP A 34 10.782 10.371 1.310 1.00 0.00 O ATOM 437 CB TRP A 34 10.081 9.520 3.803 1.00 0.00 C ATOM 438 CG TRP A 34 9.592 8.897 5.071 1.00 0.00 C ATOM 439 CD1 TRP A 34 8.464 9.247 5.721 1.00 0.00 C ATOM 440 CD2 TRP A 34 10.197 7.826 5.852 1.00 0.00 C ATOM 441 NE1 TRP A 34 8.338 8.463 6.854 1.00 0.00 N ATOM 442 CE2 TRP A 34 9.383 7.571 6.978 1.00 0.00 C ATOM 443 CE3 TRP A 34 11.364 7.061 5.689 1.00 0.00 C ATOM 444 CZ2 TRP A 34 9.715 6.592 7.914 1.00 0.00 C ATOM 445 CZ3 TRP A 34 11.701 6.073 6.628 1.00 0.00 C ATOM 446 CH2 TRP A 34 10.879 5.839 7.739 1.00 0.00 C ATOM 0 H TRP A 34 11.071 7.100 2.657 1.00 0.00 H new ATOM 0 HA TRP A 34 8.559 8.723 2.419 1.00 0.00 H new ATOM 0 HB2 TRP A 34 11.168 9.592 3.823 1.00 0.00 H new ATOM 0 HB3 TRP A 34 9.696 10.536 3.719 1.00 0.00 H new ATOM 0 HD1 TRP A 34 7.771 10.014 5.408 1.00 0.00 H new ATOM 0 HE1 TRP A 34 7.566 8.536 7.517 1.00 0.00 H new ATOM 0 HE3 TRP A 34 12.005 7.234 4.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.077 6.417 8.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.600 5.489 6.493 1.00 0.00 H new ATOM 0 HH2 TRP A 34 11.145 5.078 8.458 1.00 0.00 H new ATOM 457 N SER A 35 10.325 8.508 0.235 1.00 0.00 N ATOM 458 CA SER A 35 10.965 9.046 -1.012 1.00 0.00 C ATOM 459 C SER A 35 9.945 9.815 -1.870 1.00 0.00 C ATOM 460 O SER A 35 9.861 11.026 -1.789 1.00 0.00 O ATOM 461 CB SER A 35 11.520 7.834 -1.760 1.00 0.00 C ATOM 462 OG SER A 35 12.349 8.278 -2.826 1.00 0.00 O ATOM 0 H SER A 35 9.940 7.566 0.161 1.00 0.00 H new ATOM 0 HA SER A 35 11.757 9.757 -0.776 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.091 7.202 -1.079 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.703 7.227 -2.149 1.00 0.00 H new ATOM 0 HG SER A 35 12.409 7.576 -3.508 1.00 0.00 H new ATOM 468 N ARG A 36 9.180 9.136 -2.698 1.00 0.00 N ATOM 469 CA ARG A 36 8.187 9.857 -3.564 1.00 0.00 C ATOM 470 C ARG A 36 7.122 8.893 -4.118 1.00 0.00 C ATOM 471 O ARG A 36 6.082 8.708 -3.518 1.00 0.00 O ATOM 472 CB ARG A 36 8.994 10.478 -4.718 1.00 0.00 C ATOM 473 CG ARG A 36 10.290 9.691 -4.972 1.00 0.00 C ATOM 474 CD ARG A 36 10.744 9.895 -6.419 1.00 0.00 C ATOM 475 NE ARG A 36 11.627 8.727 -6.717 1.00 0.00 N ATOM 476 CZ ARG A 36 12.027 8.500 -7.942 1.00 0.00 C ATOM 477 NH1 ARG A 36 11.151 8.358 -8.903 1.00 0.00 N ATOM 478 NH2 ARG A 36 13.306 8.409 -8.204 1.00 0.00 N ATOM 0 H ARG A 36 9.200 8.122 -2.811 1.00 0.00 H new ATOM 0 HA ARG A 36 7.655 10.615 -2.989 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.388 10.490 -5.624 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.234 11.514 -4.481 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.069 10.024 -4.286 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.127 8.631 -4.778 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.892 9.929 -7.098 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.282 10.836 -6.535 1.00 0.00 H new ATOM 0 HE ARG A 36 11.919 8.105 -5.963 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.154 8.424 -8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.465 8.181 -9.857 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.989 8.515 -7.454 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.620 8.232 -9.158 1.00 0.00 H new ATOM 492 N ARG A 37 7.368 8.286 -5.259 1.00 0.00 N ATOM 493 CA ARG A 37 6.363 7.343 -5.848 1.00 0.00 C ATOM 494 C ARG A 37 6.729 5.896 -5.490 1.00 0.00 C ATOM 495 O ARG A 37 6.837 5.034 -6.343 1.00 0.00 O ATOM 496 CB ARG A 37 6.402 7.577 -7.368 1.00 0.00 C ATOM 497 CG ARG A 37 7.838 7.464 -7.891 1.00 0.00 C ATOM 498 CD ARG A 37 7.835 6.761 -9.250 1.00 0.00 C ATOM 499 NE ARG A 37 7.927 7.858 -10.257 1.00 0.00 N ATOM 500 CZ ARG A 37 6.866 8.560 -10.561 1.00 0.00 C ATOM 501 NH1 ARG A 37 6.761 9.795 -10.145 1.00 0.00 N ATOM 502 NH2 ARG A 37 5.913 8.027 -11.279 1.00 0.00 N ATOM 0 H ARG A 37 8.221 8.404 -5.806 1.00 0.00 H new ATOM 0 HA ARG A 37 5.359 7.516 -5.459 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.767 6.848 -7.871 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.000 8.563 -7.601 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.281 8.456 -7.984 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.451 6.906 -7.183 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.675 6.073 -9.339 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.927 6.175 -9.388 1.00 0.00 H new ATOM 0 HE ARG A 37 8.819 8.061 -10.709 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.506 10.209 -9.584 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.934 10.344 -10.381 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.996 7.063 -11.603 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.086 8.575 -11.516 1.00 0.00 H new ATOM 516 N SER A 38 6.919 5.649 -4.217 1.00 0.00 N ATOM 517 CA SER A 38 7.281 4.280 -3.711 1.00 0.00 C ATOM 518 C SER A 38 6.528 3.161 -4.457 1.00 0.00 C ATOM 519 O SER A 38 5.343 3.262 -4.718 1.00 0.00 O ATOM 520 CB SER A 38 6.849 4.302 -2.244 1.00 0.00 C ATOM 521 OG SER A 38 7.974 4.568 -1.425 1.00 0.00 O ATOM 0 H SER A 38 6.837 6.355 -3.486 1.00 0.00 H new ATOM 0 HA SER A 38 8.341 4.072 -3.856 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.085 5.064 -2.090 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.404 3.345 -1.970 1.00 0.00 H new ATOM 0 HG SER A 38 8.615 5.121 -1.919 1.00 0.00 H new ATOM 527 N THR A 39 7.215 2.086 -4.781 1.00 0.00 N ATOM 528 CA THR A 39 6.555 0.942 -5.491 1.00 0.00 C ATOM 529 C THR A 39 6.855 -0.378 -4.761 1.00 0.00 C ATOM 530 O THR A 39 7.800 -0.478 -3.998 1.00 0.00 O ATOM 531 CB THR A 39 7.156 0.928 -6.903 1.00 0.00 C ATOM 532 OG1 THR A 39 6.714 2.077 -7.613 1.00 0.00 O ATOM 533 CG2 THR A 39 6.703 -0.335 -7.646 1.00 0.00 C ATOM 0 H THR A 39 8.207 1.953 -4.583 1.00 0.00 H new ATOM 0 HA THR A 39 5.471 1.052 -5.521 1.00 0.00 H new ATOM 0 HB THR A 39 8.244 0.934 -6.833 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.438 2.736 -7.651 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.132 -0.341 -8.648 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.039 -1.218 -7.102 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.615 -0.345 -7.717 1.00 0.00 H new ATOM 541 N ILE A 40 6.044 -1.384 -4.984 1.00 0.00 N ATOM 542 CA ILE A 40 6.257 -2.707 -4.298 1.00 0.00 C ATOM 543 C ILE A 40 7.372 -3.525 -4.977 1.00 0.00 C ATOM 544 O ILE A 40 7.687 -3.325 -6.135 1.00 0.00 O ATOM 545 CB ILE A 40 4.925 -3.459 -4.446 1.00 0.00 C ATOM 546 CG1 ILE A 40 3.743 -2.516 -4.220 1.00 0.00 C ATOM 547 CG2 ILE A 40 4.849 -4.602 -3.438 1.00 0.00 C ATOM 548 CD1 ILE A 40 2.960 -2.392 -5.524 1.00 0.00 C ATOM 0 H ILE A 40 5.241 -1.350 -5.612 1.00 0.00 H new ATOM 0 HA ILE A 40 6.555 -2.559 -3.260 1.00 0.00 H new ATOM 0 HB ILE A 40 4.876 -3.859 -5.459 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.100 -2.899 -3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.097 -1.537 -3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.900 -5.127 -3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.671 -5.296 -3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.921 -4.201 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.113 -1.722 -5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.610 -1.991 -6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.597 -3.375 -5.825 1.00 0.00 H new ATOM 560 N VAL A 41 7.936 -4.479 -4.263 1.00 0.00 N ATOM 561 CA VAL A 41 8.997 -5.362 -4.852 1.00 0.00 C ATOM 562 C VAL A 41 8.690 -6.813 -4.501 1.00 0.00 C ATOM 563 O VAL A 41 7.809 -7.091 -3.708 1.00 0.00 O ATOM 564 CB VAL A 41 10.353 -4.960 -4.236 1.00 0.00 C ATOM 565 CG1 VAL A 41 11.127 -4.094 -5.231 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.163 -4.183 -2.930 1.00 0.00 C ATOM 0 H VAL A 41 7.703 -4.683 -3.291 1.00 0.00 H new ATOM 0 HA VAL A 41 9.028 -5.253 -5.936 1.00 0.00 H new ATOM 0 HB VAL A 41 10.910 -5.871 -4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.085 -3.809 -4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.297 -4.658 -6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.551 -3.197 -5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.137 -3.915 -2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.589 -3.277 -3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.627 -4.804 -2.212 1.00 0.00 H new ATOM 576 N PRO A 42 9.437 -7.695 -5.103 1.00 0.00 N ATOM 577 CA PRO A 42 9.249 -9.142 -4.851 1.00 0.00 C ATOM 578 C PRO A 42 9.638 -9.490 -3.414 1.00 0.00 C ATOM 579 O PRO A 42 9.069 -10.377 -2.805 1.00 0.00 O ATOM 580 CB PRO A 42 10.185 -9.793 -5.859 1.00 0.00 C ATOM 581 CG PRO A 42 11.220 -8.761 -6.152 1.00 0.00 C ATOM 582 CD PRO A 42 10.522 -7.438 -6.062 1.00 0.00 C ATOM 0 HA PRO A 42 8.217 -9.475 -4.962 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.635 -10.698 -5.451 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.650 -10.083 -6.764 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.041 -8.818 -5.437 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.649 -8.909 -7.143 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.192 -6.653 -5.711 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.136 -7.119 -7.030 1.00 0.00 H new ATOM 590 N GLU A 43 10.593 -8.787 -2.864 1.00 0.00 N ATOM 591 CA GLU A 43 11.014 -9.059 -1.457 1.00 0.00 C ATOM 592 C GLU A 43 9.980 -8.509 -0.454 1.00 0.00 C ATOM 593 O GLU A 43 10.132 -8.677 0.741 1.00 0.00 O ATOM 594 CB GLU A 43 12.365 -8.352 -1.291 1.00 0.00 C ATOM 595 CG GLU A 43 12.178 -6.833 -1.367 1.00 0.00 C ATOM 596 CD GLU A 43 13.479 -6.184 -1.841 1.00 0.00 C ATOM 597 OE1 GLU A 43 13.706 -6.168 -3.040 1.00 0.00 O ATOM 598 OE2 GLU A 43 14.227 -5.715 -0.998 1.00 0.00 O ATOM 0 H GLU A 43 11.101 -8.035 -3.329 1.00 0.00 H new ATOM 0 HA GLU A 43 11.091 -10.128 -1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.811 -8.624 -0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.054 -8.681 -2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.366 -6.589 -2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.898 -6.441 -0.389 1.00 0.00 H new ATOM 605 N MET A 44 8.927 -7.864 -0.919 1.00 0.00 N ATOM 606 CA MET A 44 7.903 -7.330 0.033 1.00 0.00 C ATOM 607 C MET A 44 6.544 -8.044 -0.161 1.00 0.00 C ATOM 608 O MET A 44 5.518 -7.586 0.302 1.00 0.00 O ATOM 609 CB MET A 44 7.845 -5.813 -0.239 1.00 0.00 C ATOM 610 CG MET A 44 6.683 -5.438 -1.161 1.00 0.00 C ATOM 611 SD MET A 44 6.318 -3.666 -0.979 1.00 0.00 S ATOM 612 CE MET A 44 7.966 -3.006 -1.328 1.00 0.00 C ATOM 0 H MET A 44 8.738 -7.689 -1.906 1.00 0.00 H new ATOM 0 HA MET A 44 8.161 -7.514 1.076 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.744 -5.279 0.706 1.00 0.00 H new ATOM 0 HB3 MET A 44 8.784 -5.490 -0.689 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.938 -5.664 -2.196 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.802 -6.030 -0.913 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.069 -2.023 -0.869 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.721 -3.678 -0.920 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.102 -2.919 -2.406 1.00 0.00 H new ATOM 622 N VAL A 45 6.548 -9.180 -0.827 1.00 0.00 N ATOM 623 CA VAL A 45 5.293 -9.965 -1.072 1.00 0.00 C ATOM 624 C VAL A 45 4.704 -10.579 0.228 1.00 0.00 C ATOM 625 O VAL A 45 3.742 -11.324 0.185 1.00 0.00 O ATOM 626 CB VAL A 45 5.776 -11.057 -2.041 1.00 0.00 C ATOM 627 CG1 VAL A 45 4.909 -12.309 -1.936 1.00 0.00 C ATOM 628 CG2 VAL A 45 5.735 -10.514 -3.471 1.00 0.00 C ATOM 0 H VAL A 45 7.389 -9.603 -1.219 1.00 0.00 H new ATOM 0 HA VAL A 45 4.480 -9.352 -1.462 1.00 0.00 H new ATOM 0 HB VAL A 45 6.797 -11.332 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.274 -13.064 -2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.956 -12.700 -0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.877 -12.058 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.077 -11.284 -4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.714 -10.228 -3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.386 -9.643 -3.548 1.00 0.00 H new ATOM 638 N GLY A 46 5.248 -10.262 1.373 1.00 0.00 N ATOM 639 CA GLY A 46 4.705 -10.813 2.650 1.00 0.00 C ATOM 640 C GLY A 46 4.970 -9.812 3.777 1.00 0.00 C ATOM 641 O GLY A 46 5.259 -10.191 4.896 1.00 0.00 O ATOM 0 H GLY A 46 6.050 -9.641 1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.635 -10.999 2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.176 -11.769 2.878 1.00 0.00 H new ATOM 645 N HIS A 47 4.896 -8.534 3.483 1.00 0.00 N ATOM 646 CA HIS A 47 5.166 -7.501 4.529 1.00 0.00 C ATOM 647 C HIS A 47 4.185 -6.332 4.394 1.00 0.00 C ATOM 648 O HIS A 47 3.627 -6.102 3.340 1.00 0.00 O ATOM 649 CB HIS A 47 6.597 -7.013 4.254 1.00 0.00 C ATOM 650 CG HIS A 47 7.553 -8.179 4.191 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.310 -8.573 5.283 1.00 0.00 N ATOM 652 CD2 HIS A 47 7.887 -9.042 3.172 1.00 0.00 C ATOM 653 CE1 HIS A 47 9.055 -9.628 4.901 1.00 0.00 C ATOM 654 NE2 HIS A 47 8.834 -9.955 3.624 1.00 0.00 N ATOM 0 H HIS A 47 4.660 -8.164 2.562 1.00 0.00 H new ATOM 0 HA HIS A 47 5.051 -7.906 5.534 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.625 -6.462 3.314 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.908 -6.322 5.038 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.476 -9.014 2.174 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.747 -10.147 5.548 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.267 -10.712 3.095 1.00 0.00 H new ATOM 662 N THR A 48 4.007 -5.570 5.447 1.00 0.00 N ATOM 663 CA THR A 48 3.098 -4.391 5.390 1.00 0.00 C ATOM 664 C THR A 48 3.981 -3.164 5.179 1.00 0.00 C ATOM 665 O THR A 48 4.367 -2.488 6.111 1.00 0.00 O ATOM 666 CB THR A 48 2.380 -4.327 6.754 1.00 0.00 C ATOM 667 OG1 THR A 48 2.615 -5.519 7.496 1.00 0.00 O ATOM 668 CG2 THR A 48 0.876 -4.162 6.533 1.00 0.00 C ATOM 0 H THR A 48 4.459 -5.719 6.349 1.00 0.00 H new ATOM 0 HA THR A 48 2.360 -4.446 4.590 1.00 0.00 H new ATOM 0 HB THR A 48 2.770 -3.477 7.314 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.155 -6.269 7.064 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.369 -4.117 7.497 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.688 -3.241 5.981 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.497 -5.010 5.963 1.00 0.00 H new ATOM 676 N ILE A 49 4.349 -2.910 3.956 1.00 0.00 N ATOM 677 CA ILE A 49 5.266 -1.770 3.674 1.00 0.00 C ATOM 678 C ILE A 49 4.507 -0.455 3.568 1.00 0.00 C ATOM 679 O ILE A 49 3.710 -0.260 2.669 1.00 0.00 O ATOM 680 CB ILE A 49 5.935 -2.124 2.341 1.00 0.00 C ATOM 681 CG1 ILE A 49 6.620 -3.502 2.477 1.00 0.00 C ATOM 682 CG2 ILE A 49 6.955 -1.036 1.978 1.00 0.00 C ATOM 683 CD1 ILE A 49 8.085 -3.439 2.038 1.00 0.00 C ATOM 0 H ILE A 49 4.055 -3.443 3.137 1.00 0.00 H new ATOM 0 HA ILE A 49 5.991 -1.629 4.476 1.00 0.00 H new ATOM 0 HB ILE A 49 5.193 -2.177 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.562 -3.839 3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.088 -4.237 1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.432 -1.286 1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.446 -0.076 1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.712 -0.972 2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.540 -4.424 2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.139 -3.126 0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.621 -2.722 2.660 1.00 0.00 H new ATOM 695 N ALA A 50 4.770 0.462 4.469 1.00 0.00 N ATOM 696 CA ALA A 50 4.088 1.778 4.398 1.00 0.00 C ATOM 697 C ALA A 50 4.763 2.611 3.319 1.00 0.00 C ATOM 698 O ALA A 50 5.626 3.434 3.581 1.00 0.00 O ATOM 699 CB ALA A 50 4.223 2.417 5.778 1.00 0.00 C ATOM 0 H ALA A 50 5.425 0.350 5.243 1.00 0.00 H new ATOM 0 HA ALA A 50 3.032 1.694 4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.735 3.392 5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.752 1.776 6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.279 2.540 6.020 1.00 0.00 H new ATOM 705 N VAL A 51 4.382 2.364 2.098 1.00 0.00 N ATOM 706 CA VAL A 51 4.993 3.094 0.950 1.00 0.00 C ATOM 707 C VAL A 51 4.630 4.576 1.002 1.00 0.00 C ATOM 708 O VAL A 51 3.481 4.941 1.180 1.00 0.00 O ATOM 709 CB VAL A 51 4.422 2.445 -0.322 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.851 0.977 -0.394 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.891 2.530 -0.328 1.00 0.00 C ATOM 0 H VAL A 51 3.668 1.682 1.842 1.00 0.00 H new ATOM 0 HA VAL A 51 6.081 3.031 0.975 1.00 0.00 H new ATOM 0 HB VAL A 51 4.809 2.982 -1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.443 0.523 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.939 0.917 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.476 0.445 0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.504 2.066 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.494 2.009 0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.585 3.576 -0.296 1.00 0.00 H new ATOM 721 N TYR A 52 5.601 5.432 0.834 1.00 0.00 N ATOM 722 CA TYR A 52 5.316 6.890 0.852 1.00 0.00 C ATOM 723 C TYR A 52 4.584 7.263 -0.439 1.00 0.00 C ATOM 724 O TYR A 52 5.178 7.343 -1.496 1.00 0.00 O ATOM 725 CB TYR A 52 6.688 7.575 0.932 1.00 0.00 C ATOM 726 CG TYR A 52 6.517 9.058 1.174 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.738 9.511 2.247 1.00 0.00 C ATOM 728 CD2 TYR A 52 7.152 9.980 0.334 1.00 0.00 C ATOM 729 CE1 TYR A 52 5.595 10.882 2.479 1.00 0.00 C ATOM 730 CE2 TYR A 52 7.006 11.353 0.565 1.00 0.00 C ATOM 731 CZ TYR A 52 6.228 11.804 1.638 1.00 0.00 C ATOM 732 OH TYR A 52 6.088 13.157 1.869 1.00 0.00 O ATOM 0 H TYR A 52 6.579 5.182 0.685 1.00 0.00 H new ATOM 0 HA TYR A 52 4.685 7.193 1.688 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.277 7.133 1.736 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.239 7.411 0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.248 8.800 2.895 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.754 9.632 -0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.996 11.230 3.308 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.494 12.065 -0.085 1.00 0.00 H new ATOM 0 HH TYR A 52 5.474 13.540 1.208 1.00 0.00 H new ATOM 742 N ASN A 53 3.293 7.486 -0.359 1.00 0.00 N ATOM 743 CA ASN A 53 2.508 7.854 -1.582 1.00 0.00 C ATOM 744 C ASN A 53 2.866 9.281 -2.044 1.00 0.00 C ATOM 745 O ASN A 53 2.329 9.783 -3.014 1.00 0.00 O ATOM 746 CB ASN A 53 1.043 7.770 -1.130 1.00 0.00 C ATOM 747 CG ASN A 53 0.117 8.345 -2.206 1.00 0.00 C ATOM 748 OD1 ASN A 53 -0.188 7.685 -3.180 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.346 9.560 -2.070 1.00 0.00 N ATOM 0 H ASN A 53 2.748 7.429 0.501 1.00 0.00 H new ATOM 0 HA ASN A 53 2.715 7.200 -2.429 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.777 6.732 -0.929 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.912 8.319 -0.197 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.963 9.953 -2.781 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.091 10.115 -1.253 1.00 0.00 H new ATOM 756 N GLY A 54 3.753 9.941 -1.342 1.00 0.00 N ATOM 757 CA GLY A 54 4.130 11.337 -1.702 1.00 0.00 C ATOM 758 C GLY A 54 3.810 12.233 -0.504 1.00 0.00 C ATOM 759 O GLY A 54 4.355 13.309 -0.352 1.00 0.00 O ATOM 0 H GLY A 54 4.236 9.565 -0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.190 11.394 -1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.579 11.666 -2.583 1.00 0.00 H new ATOM 763 N LYS A 55 2.922 11.775 0.350 1.00 0.00 N ATOM 764 CA LYS A 55 2.541 12.558 1.562 1.00 0.00 C ATOM 765 C LYS A 55 2.374 11.630 2.776 1.00 0.00 C ATOM 766 O LYS A 55 2.575 12.037 3.905 1.00 0.00 O ATOM 767 CB LYS A 55 1.200 13.227 1.223 1.00 0.00 C ATOM 768 CG LYS A 55 0.305 12.272 0.424 1.00 0.00 C ATOM 769 CD LYS A 55 -1.110 12.853 0.330 1.00 0.00 C ATOM 770 CE LYS A 55 -1.591 12.808 -1.126 1.00 0.00 C ATOM 771 NZ LYS A 55 -1.056 14.051 -1.754 1.00 0.00 N ATOM 0 H LYS A 55 2.442 10.880 0.253 1.00 0.00 H new ATOM 0 HA LYS A 55 3.307 13.289 1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.694 13.525 2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.376 14.136 0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.715 12.123 -0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.277 11.295 0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.790 12.285 0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.117 13.880 0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.220 11.919 -1.636 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.679 12.776 -1.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.346 14.088 -2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.431 14.882 -1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.018 14.051 -1.695 1.00 0.00 H new ATOM 785 N GLN A 56 1.979 10.396 2.555 1.00 0.00 N ATOM 786 CA GLN A 56 1.763 9.453 3.692 1.00 0.00 C ATOM 787 C GLN A 56 2.400 8.083 3.423 1.00 0.00 C ATOM 788 O GLN A 56 2.587 7.677 2.293 1.00 0.00 O ATOM 789 CB GLN A 56 0.232 9.369 3.789 1.00 0.00 C ATOM 790 CG GLN A 56 -0.287 7.967 3.445 1.00 0.00 C ATOM 791 CD GLN A 56 -0.926 7.336 4.687 1.00 0.00 C ATOM 792 OE1 GLN A 56 -2.131 7.194 4.756 1.00 0.00 O ATOM 793 NE2 GLN A 56 -0.168 6.949 5.678 1.00 0.00 N ATOM 0 H GLN A 56 1.797 10.004 1.631 1.00 0.00 H new ATOM 0 HA GLN A 56 2.227 9.788 4.620 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.083 9.635 4.798 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.215 10.098 3.113 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.018 8.027 2.638 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.532 7.343 3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.844 7.067 5.623 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.588 6.529 6.507 1.00 0.00 H new ATOM 802 N HIS A 57 2.693 7.365 4.475 1.00 0.00 N ATOM 803 CA HIS A 57 3.278 6.001 4.344 1.00 0.00 C ATOM 804 C HIS A 57 2.162 4.983 4.597 1.00 0.00 C ATOM 805 O HIS A 57 1.783 4.749 5.728 1.00 0.00 O ATOM 806 CB HIS A 57 4.361 5.880 5.436 1.00 0.00 C ATOM 807 CG HIS A 57 4.792 7.237 5.939 1.00 0.00 C ATOM 808 ND1 HIS A 57 4.418 7.711 7.186 1.00 0.00 N ATOM 809 CD2 HIS A 57 5.528 8.239 5.362 1.00 0.00 C ATOM 810 CE1 HIS A 57 4.923 8.950 7.317 1.00 0.00 C ATOM 811 NE2 HIS A 57 5.608 9.322 6.234 1.00 0.00 N ATOM 0 H HIS A 57 2.548 7.674 5.436 1.00 0.00 H new ATOM 0 HA HIS A 57 3.708 5.824 3.358 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.977 5.288 6.267 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.224 5.348 5.037 1.00 0.00 H new ATOM 0 HD1 HIS A 57 3.861 7.211 7.879 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.977 8.195 4.381 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.790 9.569 8.192 1.00 0.00 H new ATOM 819 N VAL A 58 1.614 4.395 3.564 1.00 0.00 N ATOM 820 CA VAL A 58 0.503 3.410 3.774 1.00 0.00 C ATOM 821 C VAL A 58 1.068 1.990 3.910 1.00 0.00 C ATOM 822 O VAL A 58 1.489 1.401 2.930 1.00 0.00 O ATOM 823 CB VAL A 58 -0.410 3.526 2.539 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.160 4.859 2.579 1.00 0.00 C ATOM 825 CG2 VAL A 58 0.411 3.450 1.245 1.00 0.00 C ATOM 0 H VAL A 58 1.882 4.550 2.592 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.051 3.617 4.689 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.118 2.697 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.806 4.940 1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.766 4.908 3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.443 5.680 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.255 3.534 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.134 4.265 1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.938 2.497 1.204 1.00 0.00 H new ATOM 835 N PRO A 59 1.072 1.485 5.133 1.00 0.00 N ATOM 836 CA PRO A 59 1.603 0.120 5.405 1.00 0.00 C ATOM 837 C PRO A 59 0.675 -0.910 4.781 1.00 0.00 C ATOM 838 O PRO A 59 -0.267 -1.383 5.391 1.00 0.00 O ATOM 839 CB PRO A 59 1.610 0.026 6.930 1.00 0.00 C ATOM 840 CG PRO A 59 0.577 1.009 7.374 1.00 0.00 C ATOM 841 CD PRO A 59 0.579 2.122 6.360 1.00 0.00 C ATOM 0 HA PRO A 59 2.593 -0.062 4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.368 -0.982 7.266 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.591 0.271 7.338 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.405 0.540 7.432 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.807 1.391 8.369 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.419 2.537 6.221 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.225 2.943 6.670 1.00 0.00 H new ATOM 849 N VAL A 60 0.934 -1.233 3.552 1.00 0.00 N ATOM 850 CA VAL A 60 0.074 -2.213 2.834 1.00 0.00 C ATOM 851 C VAL A 60 0.706 -3.597 2.862 1.00 0.00 C ATOM 852 O VAL A 60 1.784 -3.796 2.337 1.00 0.00 O ATOM 853 CB VAL A 60 -0.001 -1.711 1.385 1.00 0.00 C ATOM 854 CG1 VAL A 60 -0.886 -2.654 0.567 1.00 0.00 C ATOM 855 CG2 VAL A 60 -0.593 -0.297 1.357 1.00 0.00 C ATOM 0 H VAL A 60 1.710 -0.859 3.006 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.910 -2.292 3.296 1.00 0.00 H new ATOM 0 HB VAL A 60 1.001 -1.688 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.941 -2.300 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.461 -3.658 0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.887 -2.677 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.644 0.056 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.595 -0.314 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.039 0.374 1.939 1.00 0.00 H new ATOM 865 N TYR A 61 0.041 -4.565 3.440 1.00 0.00 N ATOM 866 CA TYR A 61 0.620 -5.932 3.439 1.00 0.00 C ATOM 867 C TYR A 61 0.542 -6.474 2.017 1.00 0.00 C ATOM 868 O TYR A 61 -0.504 -6.892 1.554 1.00 0.00 O ATOM 869 CB TYR A 61 -0.220 -6.786 4.385 1.00 0.00 C ATOM 870 CG TYR A 61 0.563 -8.038 4.707 1.00 0.00 C ATOM 871 CD1 TYR A 61 0.937 -8.920 3.680 1.00 0.00 C ATOM 872 CD2 TYR A 61 0.931 -8.309 6.027 1.00 0.00 C ATOM 873 CE1 TYR A 61 1.670 -10.067 3.976 1.00 0.00 C ATOM 874 CE2 TYR A 61 1.667 -9.460 6.325 1.00 0.00 C ATOM 875 CZ TYR A 61 2.038 -10.341 5.300 1.00 0.00 C ATOM 876 OH TYR A 61 2.765 -11.477 5.595 1.00 0.00 O ATOM 0 H TYR A 61 -0.862 -4.467 3.904 1.00 0.00 H new ATOM 0 HA TYR A 61 1.659 -5.938 3.767 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.446 -6.234 5.297 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.173 -7.042 3.922 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.656 -8.709 2.659 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.647 -7.630 6.817 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.955 -10.745 3.185 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.950 -9.670 7.346 1.00 0.00 H new ATOM 0 HH TYR A 61 3.721 -11.293 5.479 1.00 0.00 H new ATOM 886 N ILE A 62 1.636 -6.447 1.315 1.00 0.00 N ATOM 887 CA ILE A 62 1.632 -6.933 -0.085 1.00 0.00 C ATOM 888 C ILE A 62 1.727 -8.448 -0.124 1.00 0.00 C ATOM 889 O ILE A 62 2.500 -9.050 0.591 1.00 0.00 O ATOM 890 CB ILE A 62 2.875 -6.323 -0.735 1.00 0.00 C ATOM 891 CG1 ILE A 62 2.824 -4.796 -0.624 1.00 0.00 C ATOM 892 CG2 ILE A 62 2.942 -6.739 -2.210 1.00 0.00 C ATOM 893 CD1 ILE A 62 3.857 -4.333 0.405 1.00 0.00 C ATOM 0 H ILE A 62 2.536 -6.107 1.654 1.00 0.00 H new ATOM 0 HA ILE A 62 0.715 -6.650 -0.601 1.00 0.00 H new ATOM 0 HB ILE A 62 3.765 -6.685 -0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.029 -4.342 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.826 -4.474 -0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.828 -6.303 -2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.994 -7.826 -2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.052 -6.384 -2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.826 -3.247 0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.630 -4.778 1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.852 -4.644 0.087 1.00 0.00 H new ATOM 905 N THR A 63 0.969 -9.054 -0.988 1.00 0.00 N ATOM 906 CA THR A 63 1.028 -10.528 -1.139 1.00 0.00 C ATOM 907 C THR A 63 1.920 -10.829 -2.347 1.00 0.00 C ATOM 908 O THR A 63 2.689 -9.987 -2.773 1.00 0.00 O ATOM 909 CB THR A 63 -0.419 -10.975 -1.384 1.00 0.00 C ATOM 910 OG1 THR A 63 -0.895 -10.403 -2.595 1.00 0.00 O ATOM 911 CG2 THR A 63 -1.306 -10.524 -0.223 1.00 0.00 C ATOM 0 H THR A 63 0.304 -8.585 -1.603 1.00 0.00 H new ATOM 0 HA THR A 63 1.438 -11.046 -0.272 1.00 0.00 H new ATOM 0 HB THR A 63 -0.450 -12.062 -1.458 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.343 -11.092 -3.128 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.332 -10.845 -0.403 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.945 -10.968 0.705 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.274 -9.438 -0.142 1.00 0.00 H new ATOM 919 N GLU A 64 1.837 -12.000 -2.907 1.00 0.00 N ATOM 920 CA GLU A 64 2.703 -12.308 -4.087 1.00 0.00 C ATOM 921 C GLU A 64 2.049 -11.821 -5.398 1.00 0.00 C ATOM 922 O GLU A 64 2.553 -12.093 -6.472 1.00 0.00 O ATOM 923 CB GLU A 64 2.849 -13.843 -4.125 1.00 0.00 C ATOM 924 CG GLU A 64 2.977 -14.426 -2.709 1.00 0.00 C ATOM 925 CD GLU A 64 1.762 -15.306 -2.404 1.00 0.00 C ATOM 926 OE1 GLU A 64 0.754 -14.765 -1.978 1.00 0.00 O ATOM 927 OE2 GLU A 64 1.860 -16.506 -2.601 1.00 0.00 O ATOM 0 H GLU A 64 1.217 -12.752 -2.608 1.00 0.00 H new ATOM 0 HA GLU A 64 3.666 -11.805 -3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.984 -14.281 -4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.727 -14.113 -4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.893 -15.012 -2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.048 -13.620 -1.978 1.00 0.00 H new ATOM 934 N ASN A 65 0.929 -11.122 -5.335 1.00 0.00 N ATOM 935 CA ASN A 65 0.273 -10.660 -6.607 1.00 0.00 C ATOM 936 C ASN A 65 -0.045 -9.150 -6.609 1.00 0.00 C ATOM 937 O ASN A 65 -0.374 -8.600 -7.643 1.00 0.00 O ATOM 938 CB ASN A 65 -1.017 -11.485 -6.721 1.00 0.00 C ATOM 939 CG ASN A 65 -1.895 -11.282 -5.481 1.00 0.00 C ATOM 940 OD1 ASN A 65 -1.844 -12.063 -4.553 1.00 0.00 O ATOM 941 ND2 ASN A 65 -2.708 -10.260 -5.428 1.00 0.00 N ATOM 0 H ASN A 65 0.451 -10.857 -4.474 1.00 0.00 H new ATOM 0 HA ASN A 65 0.944 -10.807 -7.454 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.566 -11.190 -7.615 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.772 -12.541 -6.831 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.298 -10.120 -4.608 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.752 -9.603 -6.207 1.00 0.00 H new ATOM 948 N MET A 66 0.049 -8.466 -5.489 1.00 0.00 N ATOM 949 CA MET A 66 -0.250 -7.001 -5.486 1.00 0.00 C ATOM 950 C MET A 66 1.017 -6.188 -5.814 1.00 0.00 C ATOM 951 O MET A 66 0.966 -4.985 -5.962 1.00 0.00 O ATOM 952 CB MET A 66 -0.738 -6.705 -4.070 1.00 0.00 C ATOM 953 CG MET A 66 -1.993 -7.532 -3.771 1.00 0.00 C ATOM 954 SD MET A 66 -2.423 -7.369 -2.020 1.00 0.00 S ATOM 955 CE MET A 66 -4.198 -7.101 -2.245 1.00 0.00 C ATOM 0 H MET A 66 0.318 -8.858 -4.586 1.00 0.00 H new ATOM 0 HA MET A 66 -0.991 -6.729 -6.238 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.045 -6.941 -3.349 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.958 -5.643 -3.966 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.821 -7.192 -4.393 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.818 -8.579 -4.017 1.00 0.00 H new ATOM 0 HE1 MET A 66 -4.529 -6.290 -1.596 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.398 -6.839 -3.284 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.739 -8.013 -1.990 1.00 0.00 H new ATOM 965 N VAL A 67 2.153 -6.838 -5.930 1.00 0.00 N ATOM 966 CA VAL A 67 3.423 -6.106 -6.244 1.00 0.00 C ATOM 967 C VAL A 67 3.557 -5.829 -7.750 1.00 0.00 C ATOM 968 O VAL A 67 2.873 -6.419 -8.566 1.00 0.00 O ATOM 969 CB VAL A 67 4.548 -7.042 -5.781 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.471 -8.370 -6.543 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.900 -6.386 -6.060 1.00 0.00 C ATOM 0 H VAL A 67 2.255 -7.847 -5.820 1.00 0.00 H new ATOM 0 HA VAL A 67 3.452 -5.136 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 67 4.438 -7.230 -4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.273 -9.028 -6.209 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.508 -8.844 -6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.577 -8.183 -7.612 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.701 -7.049 -5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.000 -6.198 -7.129 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.965 -5.442 -5.518 1.00 0.00 H new ATOM 981 N GLY A 68 4.460 -4.946 -8.115 1.00 0.00 N ATOM 982 CA GLY A 68 4.680 -4.632 -9.557 1.00 0.00 C ATOM 983 C GLY A 68 4.163 -3.232 -9.892 1.00 0.00 C ATOM 984 O GLY A 68 4.521 -2.669 -10.909 1.00 0.00 O ATOM 0 H GLY A 68 5.055 -4.429 -7.468 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.743 -4.698 -9.790 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.171 -5.371 -10.177 1.00 0.00 H new ATOM 988 N HIS A 69 3.316 -2.666 -9.065 1.00 0.00 N ATOM 989 CA HIS A 69 2.781 -1.309 -9.371 1.00 0.00 C ATOM 990 C HIS A 69 3.233 -0.297 -8.312 1.00 0.00 C ATOM 991 O HIS A 69 4.225 0.380 -8.479 1.00 0.00 O ATOM 992 CB HIS A 69 1.254 -1.474 -9.365 1.00 0.00 C ATOM 993 CG HIS A 69 0.841 -2.356 -10.517 1.00 0.00 C ATOM 994 ND1 HIS A 69 -0.094 -1.952 -11.458 1.00 0.00 N ATOM 995 CD2 HIS A 69 1.228 -3.622 -10.896 1.00 0.00 C ATOM 996 CE1 HIS A 69 -0.236 -2.954 -12.345 1.00 0.00 C ATOM 997 NE2 HIS A 69 0.547 -3.995 -12.049 1.00 0.00 N ATOM 0 H HIS A 69 2.977 -3.084 -8.199 1.00 0.00 H new ATOM 0 HA HIS A 69 3.142 -0.929 -10.327 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.928 -1.913 -8.422 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.772 -0.500 -9.447 1.00 0.00 H new ATOM 0 HD2 HIS A 69 1.951 -4.233 -10.376 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -0.903 -2.921 -13.194 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.628 -4.874 -12.559 1.00 0.00 H new ATOM 1005 N LYS A 70 2.501 -0.189 -7.232 1.00 0.00 N ATOM 1006 CA LYS A 70 2.854 0.774 -6.133 1.00 0.00 C ATOM 1007 C LYS A 70 1.779 0.715 -5.044 1.00 0.00 C ATOM 1008 O LYS A 70 2.043 0.850 -3.864 1.00 0.00 O ATOM 1009 CB LYS A 70 2.898 2.175 -6.765 1.00 0.00 C ATOM 1010 CG LYS A 70 1.726 2.355 -7.732 1.00 0.00 C ATOM 1011 CD LYS A 70 0.544 3.004 -7.004 1.00 0.00 C ATOM 1012 CE LYS A 70 0.357 4.444 -7.497 1.00 0.00 C ATOM 1013 NZ LYS A 70 1.402 5.242 -6.791 1.00 0.00 N ATOM 0 H LYS A 70 1.658 -0.736 -7.059 1.00 0.00 H new ATOM 0 HA LYS A 70 3.814 0.529 -5.678 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.856 2.935 -5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.841 2.314 -7.295 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.031 2.976 -8.575 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.428 1.389 -8.139 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.364 2.428 -7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.720 2.998 -5.928 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.477 4.508 -8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.642 4.812 -7.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.003 6.158 -6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.724 4.724 -5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.208 5.401 -7.429 1.00 0.00 H new ATOM 1027 N LEU A 71 0.567 0.514 -5.480 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.623 0.435 -4.568 1.00 0.00 C ATOM 1029 C LEU A 71 -1.927 0.198 -5.379 1.00 0.00 C ATOM 1030 O LEU A 71 -2.939 -0.183 -4.820 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.672 1.788 -3.824 1.00 0.00 C ATOM 1032 CG LEU A 71 -1.545 2.802 -4.580 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -2.990 2.717 -4.078 1.00 0.00 C ATOM 1034 CD2 LEU A 71 -1.007 4.215 -4.335 1.00 0.00 C ATOM 0 H LEU A 71 0.339 0.396 -6.467 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.539 -0.399 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.068 1.640 -2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.338 2.183 -3.714 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.519 2.576 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.605 3.438 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.376 1.712 -4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.018 2.941 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.624 4.937 -4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.034 4.435 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.021 4.280 -4.693 1.00 0.00 H new ATOM 1046 N GLY A 72 -1.913 0.417 -6.686 1.00 0.00 N ATOM 1047 CA GLY A 72 -3.142 0.203 -7.513 1.00 0.00 C ATOM 1048 C GLY A 72 -3.453 -1.295 -7.634 1.00 0.00 C ATOM 1049 O GLY A 72 -4.549 -1.676 -7.995 1.00 0.00 O ATOM 0 H GLY A 72 -1.096 0.735 -7.208 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.987 0.721 -7.060 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.000 0.632 -8.505 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.510 -2.144 -7.304 1.00 0.00 N ATOM 1054 CA GLU A 73 -2.760 -3.618 -7.365 1.00 0.00 C ATOM 1055 C GLU A 73 -3.498 -4.045 -6.098 1.00 0.00 C ATOM 1056 O GLU A 73 -4.110 -5.095 -6.040 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.377 -4.264 -7.405 1.00 0.00 C ATOM 1058 CG GLU A 73 -0.856 -4.279 -8.839 1.00 0.00 C ATOM 1059 CD GLU A 73 -0.944 -5.698 -9.405 1.00 0.00 C ATOM 1060 OE1 GLU A 73 -2.031 -6.097 -9.789 1.00 0.00 O ATOM 1061 OE2 GLU A 73 0.080 -6.361 -9.448 1.00 0.00 O ATOM 0 H GLU A 73 -1.575 -1.878 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.362 -3.906 -8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.689 -3.713 -6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.429 -5.281 -7.016 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.439 -3.595 -9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.176 -3.930 -8.865 1.00 0.00 H new ATOM 1068 N PHE A 74 -3.450 -3.211 -5.094 1.00 0.00 N ATOM 1069 CA PHE A 74 -4.148 -3.504 -3.818 1.00 0.00 C ATOM 1070 C PHE A 74 -5.499 -2.782 -3.830 1.00 0.00 C ATOM 1071 O PHE A 74 -6.409 -3.134 -3.104 1.00 0.00 O ATOM 1072 CB PHE A 74 -3.251 -2.936 -2.707 1.00 0.00 C ATOM 1073 CG PHE A 74 -1.796 -3.327 -2.913 1.00 0.00 C ATOM 1074 CD1 PHE A 74 -1.012 -2.664 -3.867 1.00 0.00 C ATOM 1075 CD2 PHE A 74 -1.221 -4.329 -2.123 1.00 0.00 C ATOM 1076 CE1 PHE A 74 0.324 -3.001 -4.033 1.00 0.00 C ATOM 1077 CE2 PHE A 74 0.128 -4.657 -2.288 1.00 0.00 C ATOM 1078 CZ PHE A 74 0.897 -3.993 -3.243 1.00 0.00 C ATOM 0 H PHE A 74 -2.946 -2.324 -5.109 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.325 -4.569 -3.669 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.338 -1.850 -2.687 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.594 -3.301 -1.739 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.450 -1.887 -4.476 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.818 -4.848 -1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.920 -2.493 -4.776 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.575 -5.426 -1.675 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.939 -4.249 -3.370 1.00 0.00 H new ATOM 1088 N ALA A 75 -5.630 -1.772 -4.667 1.00 0.00 N ATOM 1089 CA ALA A 75 -6.910 -1.019 -4.755 1.00 0.00 C ATOM 1090 C ALA A 75 -7.295 -0.809 -6.230 1.00 0.00 C ATOM 1091 O ALA A 75 -7.524 0.309 -6.653 1.00 0.00 O ATOM 1092 CB ALA A 75 -6.612 0.320 -4.076 1.00 0.00 C ATOM 0 H ALA A 75 -4.895 -1.443 -5.293 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.742 -1.541 -4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.505 0.944 -4.095 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.313 0.145 -3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.805 0.825 -4.607 1.00 0.00 H new ATOM 1098 N PRO A 76 -7.355 -1.896 -6.976 1.00 0.00 N ATOM 1099 CA PRO A 76 -7.717 -1.815 -8.409 1.00 0.00 C ATOM 1100 C PRO A 76 -9.243 -1.822 -8.576 1.00 0.00 C ATOM 1101 O PRO A 76 -9.795 -2.581 -9.351 1.00 0.00 O ATOM 1102 CB PRO A 76 -7.090 -3.074 -9.002 1.00 0.00 C ATOM 1103 CG PRO A 76 -6.979 -4.048 -7.864 1.00 0.00 C ATOM 1104 CD PRO A 76 -7.096 -3.282 -6.568 1.00 0.00 C ATOM 0 HA PRO A 76 -7.368 -0.904 -8.894 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -7.707 -3.478 -9.804 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.111 -2.859 -9.430 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -7.764 -4.801 -7.932 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.026 -4.576 -7.908 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.905 -3.671 -5.950 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.182 -3.357 -5.980 1.00 0.00 H new ATOM 1112 N THR A 77 -9.922 -0.977 -7.846 1.00 0.00 N ATOM 1113 CA THR A 77 -11.413 -0.918 -7.943 1.00 0.00 C ATOM 1114 C THR A 77 -11.832 0.143 -8.970 1.00 0.00 C ATOM 1115 O THR A 77 -12.136 1.269 -8.620 1.00 0.00 O ATOM 1116 CB THR A 77 -11.896 -0.543 -6.534 1.00 0.00 C ATOM 1117 OG1 THR A 77 -11.304 -1.415 -5.577 1.00 0.00 O ATOM 1118 CG2 THR A 77 -13.420 -0.662 -6.462 1.00 0.00 C ATOM 0 H THR A 77 -9.507 -0.322 -7.183 1.00 0.00 H new ATOM 0 HA THR A 77 -11.845 -1.863 -8.273 1.00 0.00 H new ATOM 0 HB THR A 77 -11.604 0.484 -6.316 1.00 0.00 H new ATOM 0 HG1 THR A 77 -11.612 -1.173 -4.679 1.00 0.00 H new ATOM 0 HG21 THR A 77 -13.759 -0.395 -5.461 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.872 0.012 -7.190 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.716 -1.687 -6.684 1.00 0.00 H new ATOM 1126 N ARG A 78 -11.846 -0.216 -10.236 1.00 0.00 N ATOM 1127 CA ARG A 78 -12.238 0.753 -11.313 1.00 0.00 C ATOM 1128 C ARG A 78 -11.451 2.063 -11.169 1.00 0.00 C ATOM 1129 O ARG A 78 -11.986 3.071 -10.744 1.00 0.00 O ATOM 1130 CB ARG A 78 -13.742 0.989 -11.119 1.00 0.00 C ATOM 1131 CG ARG A 78 -14.527 -0.189 -11.705 1.00 0.00 C ATOM 1132 CD ARG A 78 -15.902 -0.274 -11.035 1.00 0.00 C ATOM 1133 NE ARG A 78 -16.807 0.532 -11.903 1.00 0.00 N ATOM 1134 CZ ARG A 78 -17.377 1.610 -11.431 1.00 0.00 C ATOM 1135 NH1 ARG A 78 -16.806 2.775 -11.594 1.00 0.00 N ATOM 1136 NH2 ARG A 78 -18.518 1.521 -10.799 1.00 0.00 N ATOM 0 H ARG A 78 -11.600 -1.148 -10.571 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.019 0.369 -12.309 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.969 1.099 -10.059 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.041 1.917 -11.607 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -14.643 -0.062 -12.781 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.978 -1.118 -11.551 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -16.242 -1.307 -10.963 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -15.872 0.123 -10.021 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.982 0.243 -12.865 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.917 2.842 -12.089 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -17.250 3.616 -11.226 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -18.962 0.611 -10.675 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -18.964 2.361 -10.430 1.00 0.00 H new ATOM 1150 N THR A 79 -10.179 2.038 -11.517 1.00 0.00 N ATOM 1151 CA THR A 79 -9.300 3.257 -11.411 1.00 0.00 C ATOM 1152 C THR A 79 -9.604 4.067 -10.133 1.00 0.00 C ATOM 1153 O THR A 79 -9.687 5.281 -10.157 1.00 0.00 O ATOM 1154 CB THR A 79 -9.563 4.076 -12.693 1.00 0.00 C ATOM 1155 OG1 THR A 79 -8.619 5.136 -12.774 1.00 0.00 O ATOM 1156 CG2 THR A 79 -10.981 4.662 -12.696 1.00 0.00 C ATOM 0 H THR A 79 -9.705 1.209 -11.876 1.00 0.00 H new ATOM 0 HA THR A 79 -8.248 2.984 -11.331 1.00 0.00 H new ATOM 0 HB THR A 79 -9.463 3.412 -13.551 1.00 0.00 H new ATOM 0 HG1 THR A 79 -8.630 5.649 -11.939 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.137 5.233 -13.611 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.709 3.853 -12.645 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.106 5.317 -11.834 1.00 0.00 H new ATOM 1164 N TYR A 80 -9.759 3.394 -9.016 1.00 0.00 N ATOM 1165 CA TYR A 80 -10.051 4.107 -7.735 1.00 0.00 C ATOM 1166 C TYR A 80 -9.492 3.313 -6.548 1.00 0.00 C ATOM 1167 O TYR A 80 -9.770 2.141 -6.385 1.00 0.00 O ATOM 1168 CB TYR A 80 -11.580 4.184 -7.657 1.00 0.00 C ATOM 1169 CG TYR A 80 -12.005 5.619 -7.451 1.00 0.00 C ATOM 1170 CD1 TYR A 80 -12.146 6.129 -6.154 1.00 0.00 C ATOM 1171 CD2 TYR A 80 -12.259 6.440 -8.557 1.00 0.00 C ATOM 1172 CE1 TYR A 80 -12.538 7.459 -5.964 1.00 0.00 C ATOM 1173 CE2 TYR A 80 -12.652 7.770 -8.366 1.00 0.00 C ATOM 1174 CZ TYR A 80 -12.793 8.279 -7.069 1.00 0.00 C ATOM 1175 OH TYR A 80 -13.181 9.590 -6.882 1.00 0.00 O ATOM 0 H TYR A 80 -9.695 2.379 -8.939 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.593 5.096 -7.701 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -12.021 3.791 -8.573 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -11.944 3.565 -6.837 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -11.952 5.496 -5.301 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -12.152 6.047 -9.557 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -12.644 7.853 -4.964 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -12.846 8.403 -9.219 1.00 0.00 H new ATOM 0 HH TYR A 80 -13.316 10.019 -7.753 1.00 0.00 H new TER 1185 TYR A 80